Febantel

Synopsis, Chemistry

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Also known as: 58306-30-2, Rintal, Combotel, Oratel, Bay vh 5757, Negabot plus paste

Molecular Formula

C₂₀H₂₂N₄O₆S

Molecular Weight

446.5 g/mol

InChI Key

HMCCXLBXIJMERM-UHFFFAOYSA-N

FDA UNII

S75C401OS1

1 2D Structure

Febantel

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylphenyl]-N-methoxycarbonylcarbamimidoyl]carbamate

2.1.2 InChI

InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)

2.1.3 InChI Key

HMCCXLBXIJMERM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(NC(=O)OC)NC(=O)OC

2.2 Other Identifiers

2.2.1 UNII

S75C401OS1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2'-(2,3-bis(methoxycarbonyl)guanidino)-5'-phenylthio-2-methoxyacetanilide

2. Armadose

3. Bay Vh 5757

4. Dimethyl 2-(methoxyacetyl)amino-4-(phenylthio)phenyl(carbonimidoyl)bis(carbamate)

5. Rintal

2.3.2 Depositor-Supplied Synonyms

1. 58306-30-2

2. Rintal

3. Combotel

4. Oratel

5. Bay Vh 5757

6. Negabot Plus Paste

7. Bay-vh-5757

8. Bay H 5757

9. Bay-h-5757

10. Febantel For Veterinary Use

11. Bayvh-5757

12. Bayh-5757

13. S75c401os1

14. Dimethyl ((2-(2-methoxyacetamido)-4-(phenylthio)phenyl)imidocarbonyl)dicarbamate

15. Cid 5361251

16. Ncgc00181307-01

17. Carbamic Acid, ((2-((methoxyacetyl)amino)-4-(phenylthio)phenyl)carbonimidoyl)bis-, Dimethyl Ester

18. Methyl N-[[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylanilino]-(methoxycarbonylamino)methylidene]carbamate

19. Methyl N-[n'-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylphenyl]-n-methoxycarbonylcarbamimidoyl]carbamate

20. Febantelum

21. Febantelum [inn-latin]

22. Febantel [usan:inn:ban]

23. Bay Vh5757

24. Einecs 261-205-0

25. Brn 2195764

26. Unii-s75c401os1

27. Febantel;

28. Febantel-d6

29. Rintal (tn)

30. Febantel [usan]

31. Febantel (usan/inn)

32. Febantel [inn]

33. Febantel [mi]

34. Febantel [mart.]

35. Febantel [usp-rs]

36. 2'-(2,3-bis(methoxycarbonyl)guanidino)-5'-phenylthio-2-methoxyacetanilide

37. ((2-((methoxyacetyl)amino)-4-(phenylthio)phenyl)carbonimidoyl)bis(carbamic Acid), Dimethyl Ester

38. Dsstox_cid_26898

39. Dsstox_rid_81999

40. N-(2-(2,3-bis-(methoxycarbonyl)-guanidino)-5-(phenylthio)-phenyl)-2-methoxyacetamide

41. Dsstox_gsid_46898

42. Febantel [green Book]

43. Schembl164634

44. Bay Vh-5757

45. Febantel For System Suitability

46. Chembl1080983

47. Dtxsid6046898

48. Chebi:189104

49. Amy22172

50. Bcp12934

51. Zinc4215999

52. Tox21_112782

53. Ac-424

54. Bdbm50103610

55. Mfcd01738527

56. S5092

57. Akos015905606

58. Akos015994747

59. Akos030242485

60. Ccg-269196

61. Cs-3978

62. Db11409

63. Ks-5048

64. N-{2-[2,3-bis-(methoxycarbonyl)-guanido]-5-(phenylthio)-phenyl}-2-methoxyacetamide

65. Carbamic Acid,[[2-[(methoxyacetyl)amino]-4-(phenylthio)phenyl]carbonimidoyl]bis-,dimethyl Ester

66. Hy-17597

67. Cas-58306-30-2

68. F0922

69. Ft-0655929

70. Febantel, Vetranal(tm), Analytical Standard

71. C75732

72. D04135

73. 306f302

74. A831825

75. Febantel For Veterinary Use [ep Monograph]

76. Sr-01000944939

77. Q1399337

78. Sr-01000944939-1

79. W-105401

80. Febantel, European Pharmacopoeia (ep) Reference Standard

81. Febantel, United States Pharmacopeia (usp) Reference Standard

82. Febantel For System Suitability, European Pharmacopoeia (ep) Reference Standard

83. (e)-methyl (2-(2-methoxyacetamido)-4-(phenylthio)phenylamino)(methoxycarbonylamino)methylenecarbamate

84. Carbamic Acid, N,n'-[[2-[(2-methoxyacetyl)amino]-4-(phenylthio)phenyl]carbonimidoyl]bis-, Dimethyl Ester

85. Dimethyl [(z)-((2-[(methoxyacetyl)amino]-4-(phenylsulfanyl)phenyl)amino)methylylidene]biscarbamate

86. Methyl (2-(2-methoxyacetamido)-4-(phenylthio)phenylamino)(methoxycarbonylamino)methylenecarbamate

87. Methyl (ne)-n-[[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylanilino]-(methoxycarbonylamino)methylidene]carbamate

88. Methyl N-[n'-[2-[(2-methoxyacetyl)amino]-4-phenylsulanylphenyl]-n-methoxycarbonylcarbamimidoyl]carbamate

89. N-(((2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl)amino)((methoxycarbonyl)imino)methyl)carbamate

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₂N₄O₆S
Molecular Weight	446.5 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	446.12600561 g/mol
Monoisotopic Mass	446.12600561 g/mol
Topological Polar Surface Area	153 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	621
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anthelmintics

Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)

Antiprotozoal Agents

Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)